Geometry & MOs

Info

ID:	123346
PubChem CID:	50843645
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-54.81
Dipole, Da:	4.51
IP(EA), eV:	-8.73(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-ethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CCC3=NC(=NO3)C4=CC(=C(C(=C4)OC)OC)OC)C

DOS

IR

Vibrations